D-Glucono-1,4-lactone - ≥95% , CAS No.1198-69-2

CAS: 1198-69-2 Cat. No.: D302546 분자식: C₆H₁₀O₆ 분자량: 178.14

등급 & 순도 ≥95%

Synonyms

D-Glucono-1,4-lactone | F62S8J9R28 | (3R,4R,5R)-5-((R)-1,2-Dihydroxyethyl)-3,4-dihydroxydihydrofuran-2(3H)-one | A892396 | d-Gluconic acid gamma-lactone | EX-A3355 | UNII-F62S8J9R28 | Gluconic acid-1,4-lactone | D-Gluconic acid, .gamma.-lactone | D-glucon

Storage

Room temperature,Desiccated

Shipped In

Normal

개요

D-Glucono-1,4-Lactone ((3R,4R,5R)-5-((R)-1,2-Dihydroxyethyl)-3,4-dihydroxydihydrofuran-2(3H)-one) is used as an antifungal agent.D-Glucono-1,4-Lactone is found in wine and is a natural preservative.

사양

동의어

D-Glucono-1,4-lactone | F62S8J9R28 | (3R,4R,5R)-5-((R)-1,2-Dihydroxyethyl)-3,4-dihydroxydihydrofuran-2(3H)-one | A892396 | d-Gluconic acid gamma-lactone | EX-A3355 | UNII-F62S8J9R28 | Gluconic acid-1,4-lactone | D-Gluconic acid, .gamma.-lactone | D-glucon

사양 및 순도

≥95%

보관 조건

Room temperature,Desiccated

배송

Normal

순수함

≥95%

이름과 식별자

Pubchem Sid

504758725

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758725

정식 스마일

C(C(C1C(C(C(=O)O1)O)O)O)O

IUPAC Name

(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one

InChIKey

SXZYCXMUPBBULW-TXICZTDVSA-N

INCHI

1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5-/m1/s1

이성체 SMILES

C([C@H]([C@@H]1[C@@H]([C@H](C(=O)O1)O)O)O)O

분자량

178.14

Reaxy-Rn

1682356

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1682356&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Lactones
      • Subclass Gamma butyrolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Lactones
• Subclass: Gamma butyrolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma butyrolactones
• Alternative Parents: Tetrahydrofurans Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Gamma butyrolactone - Tetrahydrofuran - Secondary alcohol - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
• External Descriptors: gluconolactone

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 끓는점(°C): 467.9±18.0 °C(Predicted)
• 녹는점(°C): 134-135 °C
• 분자량: 178.140 g/mol
• XLogP3: -2.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 178.048 Da
• Monoisotopic Mass: 178.048 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 181.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1